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CHEBI:74037 - (11Z)-3-oxoicosa-11-enoyl-CoA

ChEBI IDCHEBI:74037
ChEBI Name(11Z)-3-oxoicosa-11-enoyl-CoA
Stars
ASCII Name(11Z)-3-oxoicosa-11-enoyl-CoA
DefinitionA 3-oxo-fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (11Z)-3-oxoicosa-11-enoic acid.
Last Modified5 February 2018
SubmitterSteve
DownloadsMolfile
FormulaC41H70N7O18P3S
Net Charge0
Average Mass1074.031
Monoisotopic Mass1073.37109
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
InChIInChI=1S/C41H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(49)24-32(51)70-23-22-43-31(50)20-21-44-39(54)36(53)41(2,3)26-63-69(60,61)66-68(58,59)62-25-30-35(65-67(55,56)57)34(52)40(64-30)48-28-47-33-37(42)45-27-46-38(33)48/h11-12,27-28,30,34-36,40,52-53H,4-10,13-26H2,1-3H3,(H,43,50)(H,44,54)(H,58,59)(H,60,61)(H2,42,45,46)(H2,55,56,57)/b12-11-/t30-,34-,35-,36+,40-/m1/s1
InChIKeyASKKPQKSCFYPPP-FVLDFCIYSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) has functional parent icosanoyl-CoA (CHEBI:15527)
(11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) is a 3-oxo-fatty acyl-CoA (CHEBI:15489)
(11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) is a long-chain fatty acyl-CoA (CHEBI:33184)
(11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
(11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037) is conjugate acid of (11Z)-3-oxoicosa-11-enoyl-CoA(4−) (CHEBI:74011)
Incoming Relation(s)
(11Z)-3-oxoicosa-11-enoyl-CoA(4−) (CHEBI:74011) is conjugate base of (11Z)-3-oxoicosa-11-enoyl-CoA (CHEBI:74037)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(11Z)-3-oxoicos-11-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(11Z)-3-ketoicosa-11-enoyl-coenzyme AChEBI
(11Z)-3-ketoeicosa-11-enoyl-coenzyme AChEBI
(11Z)-3-ketoeicosa-11-enoyl-CoAChEBI
(11Z)-3-oxoeicosa-11-enoyl-CoAChEBI
(11Z)-3-ketoicosa-11-enoyl-CoAChEBI
(11Z)-3-oxoicosa-11-enoyl-coenzyme AChEBI
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